SCHEMBL830043

SCHEMBL830043

CN(c1cc2c3c(c1)CCCC3(C)CCC2)c1ncc(C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXRA P19793 10/20 0.41
RXRB P28702 9/20 0.41
RXRG P48443 9/20 0.41
PPARG P37231 2/20 0.41
NR1H3 Q13133 1/20 0.41
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR3 P49019 2/20 0.32
LTC4S Q16873 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL829946 0.85 RXRA (0.56) ALDH1A1KDM4EALOX15HSD17B10RXRA
SCHEMBL829595 0.81 RXRA (0.59) ALDH1A1KDM4EALOX15HSD17B10RXRA
SCHEMBL830263 0.81 RXRA (0.47) ALDH1A1RXRARXRBRXRGKDM1A
SCHEMBL830028 0.79 KDM4E (0.44) ALDH1A1KDM4EALOX15HSD17B10RXRA
SCHEMBL831240 0.78 KDM4E (0.43) ALDH1A1KDM4EALOX15HSD17B10RXRA
SCHEMBL829839 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL830054 0.77 HDAC6 (0.39) RXRARXRBRXRGHDAC1HDAC6
SCHEMBL2395760 0.71 HCAR3 (0.53) HCAR3RARARARBRARG
SCHEMBL829279 0.71 RXRA (0.56) ALDH1A1RXRARXRBRXRGKDM4C
SCHEMBL829378 0.71 NOTUM (0.39) ALDH1A1KDM4EHSD17B10RXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 ALDH1A1 727/4885KDM4E 2435/4885ALOX15 2920/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.